SCHEMBL744730

SCHEMBL744730

COc1cccc(O)c1C1NC(=O)CS1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
GFER P55789 1/20 0.53
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10676844 0.77 L3MBTL1 (1.00) L3MBTL1GFERGAASMN1; SMN2ALDH1A1
SCHEMBL10678134 0.76 L3MBTL1 (0.76) L3MBTL1GFERGAASMN1; SMN2ALDH1A1
SCHEMBL10676083 0.72 GFER (0.69) L3MBTL1GFERGAASMN1; SMN2TP53
SCHEMBL2047875 0.72 TP53 (0.55) TP53ALDH1A1KDM4ECYP3A4LMNA
SCHEMBL10671668 0.70 L3MBTL1 (0.68) L3MBTL1GFERSMN1; SMN2TP53ALDH1A1
SCHEMBL10675448 0.70 GFER (1.00) L3MBTL1GFERGAASMN1; SMN2ALDH1A1
SCHEMBL5480007 0.69 ABCB1 (0.53) SMN1; SMN2TP53ALDH1A1KDM4ECYP3A4
SCHEMBL8090311 0.69 GFER (0.63) L3MBTL1GFERGAASMN1; SMN2KDM4E
SCHEMBL4608027 0.68 ABCB1 (0.55) SMN1; SMN2TP53ALDH1A1KDM4ECYP3A4
SCHEMBL17382579 0.68 TP53 (0.46) TP53ALDH1A1KDM4ECYP3A4LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R L3MBTL1 4189/4885GFER 2073/4885GAA 1967/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.